106 Publications (Page 5 of 5)
2007
All‐Electron First Principles Calculations of the Ground and Some Low‐Lying Excited States of BaI
Miliordos, Evangelos⋅Papakondylis, Aristotle⋅Tsekouras, Athanasios A and Mavridis, Aristides
ChemInform, vol. 38, (no. 50), pp. no, December 11, 2007. | Journal Article
 
Electronic Structure of Vanadium Oxide. Neutral and Charged Species, VO0
Miliordos, Evangelos and Mavridis, Aristides
The Journal of Physical Chemistry A, vol. 111, (no. 10), pp. 1965, 20070315. | Journal Article
 
Electronic structure of vanadium oxide: Neutral and charged species, [V.sup.0,plusmn]
Miliordos, Evangelos and Mavridis, Aristides
Journal of Physical Chemistry A, vol. 111, (no. 10), pp. 1953, 20070315. | Journal Article
2004
Carbonyl Boron and Related Systems:  An ab Initio Study of B−X and YB⋮BY (1Σg +), Where X = He, Ne, Ar, Kr, CO, CS, N2 and Y = Ar, Kr, CO, CS, N2
Papakondylis, Aristotle⋅Miliordos, Evangelos and Mavridis, Aristides
The Journal of Physical Chemistry A, vol. 108, (no. 19), pp. 4340, 20040513. | Journal Article
 
Carbonyl boron and related systems: an ab initio study of B-X and YB triple bond BY where X=He, Ne, Ar, Kr, Co, Cs, N2 and Y=Ar, Kr, Co, Cs, N2
Papakondylis, Aristotle⋅Miliordos, Evangelos and Mavridis, Aristides
Journal of Physical Chemistry A, vol. 108, (no. 24), pp. 4335, 20040617. | Journal Article
1900
Ground and Excited States of the [Fe(H2O)6]2+ and [Fe(H2O)6]3+ Clusters: Insight into the Electronic Structure of the [Fe(H2O)6]2+–[Fe(H2O)6]3+ Complex
Miliordos, Evangelos and Xantheas, Sotiris S
Journal of Chemical Theory and Computation, vol. 11, (no. 4), pp. 1563, 00000000. | Journal Article